SCHEMBL21769233

SCHEMBL21769233

CCN(CC)CCOc1ccccc1C(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPSR1 Q6W5P4 4/20 0.45
NOD2 Q9HC29 1/20 0.43
CACNA1G O43497 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21769400 0.95 NPSR1 (0.45) KDM4ELMNAALDH1A1NPSR1NOD2
SCHEMBL21769463 0.91 KDM4E (0.44) KDM4ELMNAALDH1A1NPSR1NOD2
SCHEMBL21769477 0.91 MAPT (0.47) KDM4ELMNAALDH1A1NPSR1CACNA1G
SCHEMBL21440788 0.90 ALDH1A1 (0.48) KDM4EALDH1A1NPSR1CACNA1GSMN1; SMN2
SCHEMBL21769398 0.87 KDM4E (0.46) KDM4EALDH1A1NPSR1CACNA1GSMN1; SMN2
SCHEMBL21769529 0.86 NPSR1 (0.40) KDM4ELMNAALDH1A1NPSR1NOD2
SCHEMBL21769245 0.86 MAPT (0.46) ALDH1A1NPSR1CACNA1GSMN1; SMN2USP2
SCHEMBL21769479 0.86 NPSR1 (0.46) KDM4ELMNAALDH1A1NPSR1CACNA1G
SCHEMBL21769228 0.84 NPSR1 (0.49) ALDH1A1NPSR1CACNA1GSMN1; SMN2USP2
SCHEMBL21769231 0.82 DRD3 (0.54) KDM4EALDH1A1NPSR1SMN1; SMN2USP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof PURDUE RESEARCH FOUNDATION (US) 2021-06-01 US disclosed
US-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof PURDUE RESEARCH FOUNDATION (US) 2020-02-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof ILK, LRRC47, RPL37 KDM4E 3638/4885LMNA 174/4885ALDH1A1 1721/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 KDM4E 3638/4885LMNA 174/4885ALDH1A1 1721/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.